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1-Acetyl-2，6-dihydroxynaphthalene - ≥97%, high purity , CAS No.108804-50-8

COA

Grade & Purity:

≥97%

Cas Number: 108804-50-8
Molecular Weight: 202.21
PubChem CID: 604556

In stock

Item Number

A692654

Grouped product items
SKU	Size	Availability	Price	Qty
A692654-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$459.90
A692654-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,755.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes
    - Subclass Naphthols and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Naphthols and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Naphthols and derivatives
Alternative Parents	Acetophenones Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	2-naphthol - Acetophenone - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1-(2,6-dihydroxynaphthalen-1-yl)ethanone
INCHI	InChI=1S/C12H10O3/c1-7(13)12-10-4-3-9(14)6-8(10)2-5-11(12)15/h2-6,14-15H,1H3
InChIKey	BXEYIDZNPJQWFK-UHFFFAOYSA-N
Smiles	CC(=O)C1=C(C=CC2=C1C=CC(=C2)O)O
Isomeric SMILES	CC(=O)C1=C(C=CC2=C1C=CC(=C2)O)O
PubChem CID	604556
Molecular Weight	202.21

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	202.210 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	202.063 Da
Monoisotopic Mass	202.063 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	251.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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1-Acetyl-2，6-dihydroxynaphthalene - ≥97%, high purity , CAS No.108804-50-8

Basic Description